1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole

C23H16ClF3N2O — CID 59632580

IUPAC1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C23H16ClF3N2O/c24-19-8-4-5-9-20(19)29-21(14-22(28-29)23(25,26)27)17-10-12-18(13-11-17)30-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyINQHQCIOYPRZQX-UHFFFAOYSA-N
MW428.84 g/mol
LogP6.79
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole

1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 59632580) has the molecular formula C23H16ClF3N2O and a molecular weight of 428.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID59632580
Molecular FormulaC23H16ClF3N2O
Molecular Weight428.84 g/mol
Exact Mass428.09
IUPAC Name1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C23H16ClF3N2O/c24-19-8-4-5-9-20(19)29-21(14-22(28-29)23(25,26)27)17-10-12-18(13-11-17)30-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyINQHQCIOYPRZQX-UHFFFAOYSA-N
XLogP6.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.84
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090708
[4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]carbamic acid
CID 68553865
1-(2-chlorophenyl)-5-[4-(3-methylsulfonylphenoxy)phenyl]-3-(trifluoromethyl)pyrazole
CID 59631781
thiophen-3-ylmethyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 68656311
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 59632302
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxyphenyl)benzamide
CID 59633353
thiophen-2-ylmethyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 68655385
1-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-(3-methylsulfonylphenyl)ethanone
CID 59633434
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 59631838
2-[4-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]acetic acid
CID 68655608
1-(2-chlorophenyl)-4-methyl-5-(4-phenylmethoxyphenyl)-3-(2,2,2-trichloroethyl)pyrazole
CID 141161184
2-propylsulfanylethyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 68656079

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 59632580) is 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is INQHQCIOYPRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O/c24-19-8-4-5-9-20(19)29-21(14-22(28-29)23(25,26)27)17-10-12-18(13-11-17)30-15-16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole?
1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 428.84 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59632580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).